ethane;3,3,4-trimethyloxane

C10H22O — CID 145166291

IUPACethane;3,3,4-trimethyloxane
SMILESCC.CC1CCOCC1(C)C
InChIInChI=1S/C8H16O.C2H6/c1-7-4-5-9-6-8(7,2)3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyHLAANDXCBISUOE-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds

About ethane;3,3,4-trimethyloxane

ethane;3,3,4-trimethyloxane (PubChem CID 145166291) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;3,3,4-trimethyloxane.

Molecular Properties

Compound Nameethane;3,3,4-trimethyloxane
PubChem CID145166291
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;3,3,4-trimethyloxane
SMILESCC.CC1CCOCC1(C)C
InChIInChI=1S/C8H16O.C2H6/c1-7-4-5-9-6-8(7,2)3;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyHLAANDXCBISUOE-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;3,3,4-trimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3,3,4-trimethyloxane?
The IUPAC name of ethane;3,3,4-trimethyloxane (CID 145166291) is ethane;3,3,4-trimethyloxane.
What is the SMILES notation for ethane;3,3,4-trimethyloxane?
The canonical SMILES for ethane;3,3,4-trimethyloxane is CC.CC1CCOCC1(C)C.
What is the InChIKey of ethane;3,3,4-trimethyloxane?
The InChIKey is HLAANDXCBISUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-7-4-5-9-6-8(7,2)3;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3,3,4-trimethyloxane?
ethane;3,3,4-trimethyloxane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,4-trimethyloxane is sourced from PubChem (CID 145166291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).